SCHEMBL28650140

SCHEMBL28650140

CC1(C)OB(c2ccc(OC(F)F)c(OCc3ccccc3)c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
LIPG Q9Y5X9 7/20 0.40
LPL P06858 6/20 0.40
EGFR P00533 1/20 0.39
PDE4B Q07343 5/20 0.37
PDE4A P27815 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
PTGER1 P34995 1/20 0.37
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GSK3B P49841 1/20 0.35
ANPEP P15144 1/20 0.35
LAP3 P28838 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17474563 0.89 DGAT1 (0.54) DGAT1LIPGLPLEGFRMAPT
SCHEMBL182480 0.85 DGAT1 (0.51) DGAT1LIPGLPLEGFRPDE4B
SCHEMBL27345419 0.85 HIF1A (0.39) DGAT1LIPGLPLEGFRMAPT
SCHEMBL24058035 0.83 DGAT1 (0.51) DGAT1LIPGLPLEGFRMAPT
SCHEMBL15884409 0.83 EGFR (0.52) DGAT1LIPGLPLEGFR
SCHEMBL21823354 0.81 LPL (0.41) DGAT1LIPGLPLPDE4BPDE4D
SCHEMBL3767677 0.81 DGAT1 (0.52) DGAT1LIPGLPLEGFRMAPT
SCHEMBL31748489 0.81 DGAT1 (0.52) DGAT1LIPGLPLEGFRMAPT
SCHEMBL31065363 0.81 DGAT1 (0.47) DGAT1LIPGLPLEGFRMAPT
SCHEMBL3767557 0.81 DGAT1 (0.47) DGAT1LIPGLPLEGFRMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563244-A Substituted aza five-membered ring compound and application thereof in medicine 广东东阳光药业有限公司 2021-10-29 CN disclosed